3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

C14H21ClN2O2 — CID 106347896

IUPAC3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)12(4-5-18)17-13(19)9-6-10(15)8-11(16)7-9/h6-8,12,18H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyNAOYUHRHMKIFDD-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106347896) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106347896
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1cc(N)cc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)12(4-5-18)17-13(19)9-6-10(15)8-11(16)7-9/h6-8,12,18H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyNAOYUHRHMKIFDD-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,5-dichloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347840
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
(2R)-2-[(3-amino-5-chlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927249
3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355662
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-nitrobenzamide
CID 106355593
3-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-iodobenzamide
CID 104630338
2-[(3-amino-5-chlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82781117

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106347896) is 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1cc(N)cc(Cl)c1.
What is the InChIKey of 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is NAOYUHRHMKIFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)12(4-5-18)17-13(19)9-6-10(15)8-11(16)7-9/h6-8,12,18H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 284.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106347896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).